3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC)O

InChI

InChI=1S/C18H21N3O5S/c1-3-11-7-13-12(8-16(23)26-15(13)9-14(11)22)10-27-18-20-19-17(24)21(18)5-4-6-25-2/h7-9,22H,3-6,10H2,1-2H3,(H,19,24)